4221-47-0

Basic information

• Product Name: 1-methylethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
• Synonyms: 3-quinolinecarboxylic acid, 4-(3-bromophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 1-methylethyl ester; Isopropyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
• CAS NO: 4221-47-0
• Molecular Formula: C₂₂H₂₆BrNO₃
• Molecular Weight: 432.3507
• Mol File: 4221-47-0.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 519.9°C at 760 mmHg
• Flash Point: 268.2°C
• Density: 1.34g/cm³
• Vapor Pressure: 6.56E-11mmHg at 25°C
• Refractive Index: 1.591
• CAS DataBase Reference: 1-methylethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methylethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate(4221-47-0)
• EPA Substance Registry System: 1-methylethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate(4221-47-0)

Safety Data

• Hazardous Substances Data: 4221-47-0(Hazardous Substances Data)

Usage

Molecular weight

534.43 g/mol The molecular weight is the mass of one mole of the compound, calculated by adding the atomic weights of all the atoms in the molecular formula.

Class

Quinoline derivatives The compound belongs to a group of chemical compounds derived from quinoline, which is a heterocyclic aromatic compound.

Usage

Pharmaceutical intermediate The compound is commonly used as an intermediate in the synthesis of pharmaceutical drugs, serving as a starting material or building block for further chemical reactions.

Bromophenyl group

A bromine atom attached to a phenyl ring The presence of this group in the compound's structure contributes to its potential pharmacological properties and may influence its biological activity.

Carboxylate functionality

A carboxylate group (-COO^-) attached to the compound This functional group plays a crucial role in the compound's reactivity, solubility, and potential pharmacological properties.

Hexahydro structure

A six-carbon saturated hydrocarbon ring The compound contains a six-carbon ring with all the carbon-carbon bonds being single bonds, which contributes to its unique structure and properties.

Potential applications

Drug development and medicinal chemistry research The compound's unique structure and functional groups make it a valuable candidate for further research and development in the field of medicinal chemistry, potentially leading to the discovery of new drugs and therapies.

Synthesis and characterization

Important for understanding properties and uses To fully explore the potential applications of the compound, it is essential to study its synthesis (how it is made) and characterization (detailed analysis of its structure and properties). This information will help researchers understand how the compound can be used in various fields and how its properties can be further modified or improved.